4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C131H132N30O13 — CID 159289761

About 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 159289761) has the molecular formula C131H132N30O13 and a molecular weight of 2334.69 g/mol. Its IUPAC name is 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 159289761
• Molecular Formula: C131H132N30O13
• Molecular Weight: 2334.69 g/mol
• Exact Mass: 2333.06
• IUPAC Name: 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.CCOC(=O)c1ccc(Nc2nc(Nc3ccc(OC(=O)CC)cc3)nc(Nc3cccc(C)c3)n2)cc1.CCOC(=O)c1ccc(Nc2nc(Nc3ccc(OC(=O)CC)cc3)nc(Nc3ccccc3CC)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3cccc(C)c3)n2)cc1
• InChI: InChI=1S/C29H30N6O4.C28H28N6O4.C26H26N6O2.C24H24N6O2.C24H24N6O/c1-4-19-9-7-8-10-24(19)32-29-34-27(30-21-13-11-20(12-14-21)26(37)38-6-3)33-28(35-29)31-22-15-17-23(18-16-22)39-25(36)5-2;1-4-24(35)38-23-15-13-21(14-16-23)30-27-32-26(29-20-11-9-19(10-12-20)25(36)37-5-2)33-28(34-27)31-22-8-6-7-18(3)17-22;1-4-34-23(33)19-9-15-22(16-10-19)29-26-31-24(27-20-11-5-17(2)6-12-20)30-25(32-26)28-21-13-7-18(3)8-14-21;1-16-5-4-6-19(15-16)27-24-29-22(25-17-7-11-20(31-2)12-8-17)28-23(30-24)26-18-9-13-21(32-3)14-10-18;1-16-4-8-18(9-5-16)25-22-28-23(26-19-10-6-17(2)7-11-19)30-24(29-22)27-20-12-14-21(31-3)15-13-20/h7-18H,4-6H2,1-3H3,(H3,30,31,32,33,34,35);6-17H,4-5H2,1-3H3,(H3,29,30,31,32,33,34);5-16H,4H2,1-3H3,(H3,27,28,29,30,31,32);4-15H,1-3H3,(H3,25,26,27,28,29,30);4-15H,1-3H3,(H3,25,26,27,28,29,30)
• InChIKey: KZYSDCLOIXMORU-UHFFFAOYSA-N
• XLogP: 29.11
• TPSA: 532.99 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 43
• Rotatable Bonds: 44
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2334.69
LogP ≤ 5	29.11
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 159289761) is 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.CCOC(=O)c1ccc(Nc2nc(Nc3ccc(OC(=O)CC)cc3)nc(Nc3cccc(C)c3)n2)cc1.CCOC(=O)c1ccc(Nc2nc(Nc3ccc(OC(=O)CC)cc3)nc(Nc3ccccc3CC)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3cccc(C)c3)n2)cc1.

What is the InChIKey of 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is KZYSDCLOIXMORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O4.C28H28N6O4.C26H26N6O2.C24H24N6O2.C24H24N6O/c1-4-19-9-7-8-10-24(19)32-29-34-27(30-21-13-11-20(12-14-21)26(37)38-6-3)33-28(35-29)31-22-15-17-23(18-16-22)39-25(36)5-2;1-4-24(35)38-23-15-13-21(14-16-23)30-27-32-26(29-20-11-9-19(10-12-20)25(36)37-5-2)33-28(34-27)31-22-8-6-7-18(3)17-22;1-4-34-23(33)19-9-15-22(16-10-19)29-26-31-24(27-20-11-5-17(2)6-12-20)30-25(32-26)28-21-13-7-18(3)8-14-21;1-16-5-4-6-19(15-16)27-24-29-22(25-17-7-11-20(31-2)12-8-17)28-23(30-24)26-18-9-13-21(32-3)14-10-18;1-16-4-8-18(9-5-16)25-22-28-23(26-19-10-6-17(2)7-11-19)30-24(29-22)27-20-12-14-21(31-3)15-13-20/h7-18H,4-6H2,1-3H3,(H3,30,31,32,33,34,35);6-17H,4-5H2,1-3H3,(H3,29,30,31,32,33,34);5-16H,4H2,1-3H3,(H3,27,28,29,30,31,32);4-15H,1-3H3,(H3,25,26,27,28,29,30);4-15H,1-3H3,(H3,25,26,27,28,29,30).

What are the key properties of 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?

4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2334.69 g/mol, XLogP of 29.11, 44 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-bis(4-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(2-ethylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;ethyl 4-[[4-(3-methylanilino)-6-(4-propanoyloxyanilino)-1,3,5-triazin-2-yl]amino]benzoate;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159289761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).